CID 219997

5327-43-5

Structural Information

Molecular Formula
C13H12N2O6
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2[N+](=O)[O-])OC
InChI
InChI=1S/C13H12N2O6/c1-3-21-13(17)9-6-14-11-8(12(9)16)4-7(20-2)5-10(11)15(18)19/h4-6H,3H2,1-2H3,(H,14,16)
InChIKey
LBBDRKQWRYCIMB-UHFFFAOYSA-N
Compound name
ethyl 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

292.06955 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07683 159.5
[M+Na]+ 315.05877 167.7
[M-H]- 291.06227 162.1
[M+NH4]+ 310.10337 173.3
[M+K]+ 331.03271 161.2
[M+H-H2O]+ 275.06681 156.7
[M+HCOO]- 337.06775 180.8
[M+CH3COO]- 351.08340 193.7
[M+Na-2H]- 313.04422 166.4
[M]+ 292.06900 162.0
[M]- 292.07010 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.